potassium 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoate

Systemtic Name: potassium 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoate Openeye Name: potassium 4-[5-(4-pentoxyphenyl)isoxazol-3-yl]benzoate CAS Name: potassium 4-[5-(4-pentoxyphenyl)-3-isoxazolyl]benzoate IUPAC Name: potassium 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoate Traditional Name: potassium 4-[5-(4-amoxyphenyl)isoxazol-3-yl]benzoate Formula: C21H20KNO4 MolecularWeight: 389.4861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)[O-].[K+]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)[O-].[K+]

InChI

InChI=1S/C21H21NO4.K/c1-2-3-4-13-25-18-11-9-16(10-12-18)20-14-19(22-26-20)15-5-7-17(8-6-15)21(23)24;/h5-12,14H,2-4,13H2,1H3,(H,23,24);/q;+1/p-1